4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](cyano)methyl}phenyl 4-chlorobenzene-1-sulfonate CAS 400083-94-5
| CAS No. | 400083-94-5 |
| Molecular Formula | C20H11Cl2F3N2O3S |
| Molecular Weight | 487.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](cyano)methyl}phenyl 4-chlorobenzene-1-sulfonate (CAS 400083-94-5) is a high-purity analytical reference standard with the molecular formula C20H11Cl2F3N2O3S and a molecular weight of 487.28 g/mol.
4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](cyano)methyl}phenyl 4-chlorobenzene-1-sulfonate (C20H11Cl2F3N2O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](cyano)methyl}phenyl 4-chlorobenzene-1-sulfonate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C20H11Cl2F3N2O3S |
| Molecular Weight | 487.28 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related chloro Standards
- 6-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-2-(4-chlorophenyl)-5H,6H,7H,7aH-pyrrolo[3,4-e][1,3]thiazine-5,7-dione (CAS 337920-07-7)
- N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-2-(((4-chlorophenyl)sulfonamido)oxy)acetamide (CAS 306977-19-5)
- 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethan-1-one (CAS 691858-19-2)
- 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860789-06-6)
- N-(3-Chloro-4-fluorophenyl)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 477330-53-3)
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- 6-Chloro-3-(2-methylpyridin-4-yl)-1-trityl-1H-pyrazolo[4,3-c]pyridine (CAS 1431719-89-9)
Recommended Standards
- N'1-[3-(Trifluoromethyl)benzoyl]-2-{2-[(4,5-dichloro-1H-imidazol-1-yl)methyl]phenoxy}ethanohydrazide (CAS 650617-30-4)
- 1168092-22-5 A14380 (CAS 1168092-22-5)
- 5-(Dimethylamino)pyrimidine-2,4(1H,3H)-dione (CAS 37454-51-6)
- Resmetirom impurity 125 (CAS CATO-C4X-2912125)
- n-Butyl-di-(1-adamantyl)phosphonium iodide 714951-87-8 CATACXIUM(R) AHI;DI(1-ADAMANTANYL)-N-BUTYL-PHOSPHONIUM IODIDE;DI(1-ADAMANTYL)-N-BUTYLPHOSPHINE HYDRIODIDE;N-BUTYL-DI-(1-ADAMANTYL)PHOSPHONIUM IODIDE SC11511 (CAS 714951-87-8)
- 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one (CAS 1221239-09-3)
- (3-Chloropropyl)-trimethylammonium chloride (CAS 1936-95-4)
- Strontium oxalate (CAS 814-95-9)
- 5-Oxo-1-phenylpyrrolidine-3-carboxylic acid (CAS 39629-86-2)
- 3-(pyridin-2-yl)prop-2-enal (CAS 51689-49-7)
- 2-(6-Isopropylpyridin-2-yl)-7-methoxy-8-methylquinolin-4-ol (CAS 923605-00-9)
- Acetyl-(Cys3,Nle4,Arg5,D-2-Nal7,Cys11)-α-MSH (3-11) amide (CAS 212370-59-7)
- 5-Bromo-6-chloropyrimidine-2,4-diamine (CAS 7150-68-7)
- Des-Ser32-Tirzepatide (CAS CATO-CPTD788942)
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